272051

1,3-Di-tert-butylbenzene

97%

• Synonym(s): 1,3-Bis(1,1-dimethylethyl)benzene, 1,3-Ditert-butylbenzene, 4,6-Di(tert-butyl)benzene, m-Di-tert-butylbenzene
• Linear Formula: C₆H₄[C(CH₃)₃]₂
• CAS Number: 1014-60-4
• Molecular Weight: 190.32
• MDL number: MFCD00008830
• UNSPSC Code: 12352100
• PubChem Substance ID: 24856451
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: liquid
• refractive index: n20/D 1.488 (lit.)
• bp: 106-107 °C/18 mmHg (lit.)
• mp: 10-11 °C (lit.)
• density: 0.859 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)c1cccc(c1)C(C)(C)C
• InChI: 1S/C14H22/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6/h7-10H,1-6H3
• InChI key: ILNDSSCEZZFNGE-UHFFFAOYSA-N

Description

General description

The solute-solvent nuclear overhauser effects (NOEs) of 1,3-di-tert-butylbenzene was studied in solvents composed of tetramethylsilane, perfluoro-tert-butyl alcohol and carbon tetrachloride.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 183.2 °F - closed cup
• Flash Point(C): 84 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves